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  1. 040 理学部
  2. 0401 学術論文

Coupling-constant expression and exact relations for the kinetic-energy functional in pair-density-functional theory

http://hdl.handle.net/10091/16958
519a2c6e-66f1-49cc-81fe-488c73787221
名前 / ファイル ライセンス アクション
PhysRevA.85.062508.pdf PhysRevA.85.062508.pdf (251.5 kB)
Item type 学術雑誌論文 / Journal Article(1)
公開日 2013-04-23
タイトル
言語 en
タイトル Coupling-constant expression and exact relations for the kinetic-energy functional in pair-density-functional theory
言語
言語 eng
資源タイプ
資源 http://purl.org/coar/resource_type/c_6501
タイプ journal article
著者 Higuchi, Katsuhiko

× Higuchi, Katsuhiko

WEKO 36149

Higuchi, Katsuhiko

Search repository
Higuchi, Masahiko

× Higuchi, Masahiko

WEKO 36150

Higuchi, Masahiko

Search repository
信州大学研究者総覧へのリンク
氏名 Higuchi, Masahiko
URL http://soar-rd.shinshu-u.ac.jp/profile/ja.gVfUPeSe.html
出版者
出版者 AMER PHYSICAL SOC
引用
内容記述タイプ Other
内容記述 PHYSICAL REVIEW A. 85(6):062508 (2012)
書誌情報 PHYSICAL REVIEW A

巻 85, 号 6, p. 62508, 発行日 2012-06-11
抄録
内容記述タイプ Abstract
内容記述 We derive the coupling-constant expression for the kinetic energy (KE) functional of the pair-density-functional theory. Such the expression can be effectively used in developing the approximate KE functional. Indeed, on the basis of this expression, we present an approximate form of the KE functional by means of the perturbation theory. Furthermore, as the first step of an alternative way of obtaining the approximate KE functional, we derive several relations and bounds for the KE functional by investigating how the KE functional changes with the nonuniform scaling, rotation, and translation of electron coordinates. Such relations and bounds can be utilized as restrictive conditions on the approximate form. Thus, the coupling-constant expression, relations and bounds obtained here provide useful tools for devising various types of the approximate KE functional that is indispensable for advancing the pair-density-functional theory.
資源タイプ(コンテンツの種類)
内容記述タイプ Other
内容記述 Article
ISSN
収録物識別子タイプ ISSN
収録物識別子 1050-2947
書誌レコードID
収録物識別子タイプ NCID
収録物識別子 AA10764867
DOI
関連識別子
識別子タイプ DOI
関連識別子 https://doi.org/10.1103/PhysRevA.85.062508
関連名称
関連名称 10.1103/PhysRevA.85.062508
権利
権利情報 Copyright© 2012 The American Physical Society
出版タイプ
出版タイプ VoR
出版タイプResource http://purl.org/coar/version/c_970fb48d4fbd8a85
WoS
表示名 Web of Science
URL http://gateway.isiknowledge.com/gateway/Gateway.cgi?&GWVersion=2&SrcAuth=ShinshuUniv&SrcApp=ShinshuUniv&DestLinkType=FullRecord&DestApp=WOS&KeyUT=000305087900005
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